2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

C11H22N2O3S — CID 106610197

IUPAC2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(7-10-5-4-6-12-10)11(14)8-17(3,15)16/h9-10,12H,4-8H2,1-3H3
InChIKeyBGOTUBUDUPYHKD-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds5

About 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106610197) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106610197
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(7-10-5-4-6-12-10)11(14)8-17(3,15)16/h9-10,12H,4-8H2,1-3H3
InChIKeyBGOTUBUDUPYHKD-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
CID 106609880
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
2-cyclopent-2-en-1-yl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609792
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 107181141
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 106626623

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106610197) is 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is CC(C)N(CC1CCCN1)C(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is BGOTUBUDUPYHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)13(7-10-5-4-6-12-10)11(14)8-17(3,15)16/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106610197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).